SCHEMBL7225318

SCHEMBL7225318

CC(=Cc1ccc(C(=O)O)s1)c1c(C)c(C)c2c(c1C)CCCC2(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 11/20 0.53
▸ RXRA P19793 10/20 0.53
▸ RARG P13631 10/20 0.53
▸ RXRB P28702 8/20 0.53
▸ RXRG P48443 8/20 0.53
▸ RARA P10276 6/20 0.49
▸ DAO P14920 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL10596854 0.75 CYP1A2 (0.37) RARBRXRARARGRXRBRXRG
SCHEMBL10643383 0.72 TUBB1 (0.38) RARBRXRARARGRXRBRXRG
SCHEMBL3688713 0.70 RXRA (1.00) RARBRXRARARGRXRBRXRG
SCHEMBL3688710 0.70 RXRA (1.00) RARBRXRARARGRXRBRXRG
SCHEMBL3688709 0.70 RXRA (1.00) RARBRXRARARGRXRBRXRG
SCHEMBL9067692 0.70 RARA (0.65) RARBRXRARARGRXRBRXRG
SCHEMBL9067691 0.70 RARA (0.65) RARBRXRARARGRXRBRXRG
SCHEMBL10990211 0.70 RARA (0.65) RARBRXRARARGRXRBRXRG
SCHEMBL28943223 0.69 RXRA (0.54) RARBRXRARARGRXRBRXRG
SCHEMBL10937270 0.65 RXRA (0.77) RARBRXRARARGRXRBRXRG

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624188-B1 Administered to treat or prevent one or more of the diseases and conditions selected from the group consisting of dermatoses, atherosclerosis and restenosis resulting from neointimal hyperproliferation, non-malignant and ALLERGAN, INC. 2003-09-23 — — US disclosed
EP-0688213-B1 TREATMENT OF TUMORS WITH COMPOUNDS HAVING RXR RETINOID RECEPTOR AGONIST ACTIVITY ALLERGAN INC (US) 2001-12-12 — — EP disclosed
EP-1159961-A2 Treatment of tumors with compounds having RxR retinoid receptor agonist activity ALLERGAN, INC. (US) 2001-12-05 — — EP disclosed
EP-0909560-A2 Treatment o tumors with compounds having RXR retinoid receptor agoinst activity ALLERGAN, INC. (US) 1999-04-21 — — EP disclosed
EP-0688213-A1 TREATMENT OF TUMORS WITH COMPOUNDS HAVING RXR RETINOID RECEPTOR AGONIST ACTIVITY ALLERGAN, INC. (US) 1995-12-27 — — EP disclosed
US-5399586-A Treatment of mammals afflicted with tumors with compounds having RXR retinoid receptor agonist activity ALLERGAN, INC. (US) 1995-03-21 — — US disclosed
WO-1994020093-A1 TREATMENT OF TUMORS WITH COMPOUNDS HAVING RXR RETINOID RECEPTOR AGONIST ACTIVITY ALLERGAN, INC. (US) 1994-09-15 — — WO disclosed
US-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 — — US disclosed
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