SCHEMBL6958780

SCHEMBL6958780

C/C(=C/C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.66
RARG P13631 14/20 0.66
RARB P10826 13/20 0.66
RARA P10276 11/20 0.66
CYP26A1 O43174 3/20 0.66
KDM4E B2RXH2 1/20 0.66
NPC1 O15118 1/20 0.66
GMNN O75496 1/20 0.66
USP2 O75604 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
TP53 P04637 1/20 0.66
CYP1A2 P05177 1/20 0.66
POLB P06746 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
NFKB1 P19838 1/20 0.66
CYP2C19 P33261 1/20 0.66
THPO P40225 1/20 0.66
MTOR P42345 1/20 0.66

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7876468 1.00 RXRA (0.66) RXRARARGRARBRARACYP26A1
SCHEMBL8183716 1.00 RXRA (0.66) RXRARARGRARBRARACYP26A1
SCHEMBL10355806 0.91 RXRA (0.69) RXRARARGRARBRARACYP26A1
SCHEMBL7876483 0.86 RXRA (0.60) RXRARARGRARBRARACYP26A1
SCHEMBL7876485 0.86 RXRA (0.60) RXRARARGRARBRARACYP26A1
SCHEMBL8157745 0.86 RXRA (0.71) RXRARARGRARBRARACYP26A1
SCHEMBL5681942 0.86 RXRA (0.71) RXRARARGRARBRARACYP26A1
SCHEMBL5681944 0.86 RXRA (0.71) RXRARARGRARBRARACYP26A1
SCHEMBL9007241 0.84 RXRA (0.72) RXRARARGRARBRARACYP26A1
SCHEMBL9007257 0.84 RXRA (0.72) RXRARARGRARBRARACYP26A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
US-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US disclosed
US-6114533-A A COMPOUNDS HAVING A 2,4-PENTADIENOIC ACID OR 2,4-PENTADIENOIC ACID ESTER FUNCTION WHICH IS SUBSTITUTED IN THE 5-POSITION WITH TETRAHYDROQUINOLINYL GROUP ALLERGAN SALES, INC. (US) 2000-09-05 US disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP disclosed
US-5917082-A 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN SALES, INC. (US) 1999-06-29 US disclosed
EP-0901462-A1 BI-AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND USES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1999-03-17 EP disclosed
US-5817836-A 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN (US) 1998-10-06 US disclosed
WO-1998034909-A1 BI-AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND USES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-08-13 WO disclosed
US-5780647-A 2,4-Pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN (US) 1998-07-14 US disclosed
EP-0802897-A1 NOVEL COMPOUNDS Smithkline Beecham S.p.A. (IT) 1997-10-29 EP disclosed
US-5663367-A REGULATOR OF CELL PROLIFERATION AND DIFFERENTIATION; TREATMENT OF SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS ALLERGAN (US) 1997-09-02 US disclosed
EP-0629604-B1 Alicyclic phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-04-16 EP disclosed
WO-1996021638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM S.P.A. (IT) 1996-07-18 WO disclosed
EP-0629604-A2 Alicyclic phospholipase A2 inhibitors Bristol-Myers Company (US) 1994-12-21 EP disclosed