SCHEMBL8016155

SCHEMBL8016155

CC1=C(C=CC=CC=CC=CC=CC(=O)O)C(C)(C)CCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.77
RXRA P19793 8/20 0.60
ALDH1A1 P00352 8/20 0.60
RARA P10276 6/20 0.60
RARB P10826 6/20 0.60
RARG P13631 6/20 0.60
MAPT P10636 5/20 0.60
PTGS1 P23219 4/20 0.60
CYP3A4 P08684 4/20 0.60
RXRB P28702 4/20 0.60
RXRG P48443 4/20 0.60
RORC P51449 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
MAPK1 P28482 2/20 0.60
HTR2B P41595 2/20 0.60
BLM P54132 2/20 0.60
HIF1A Q16665 2/20 0.60
DRD3 P35462 2/20 0.60
LMNA P02545 2/20 0.60
APP P05067 2/20 0.60

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
SCHEMBL8012505 1.00 CYP1A2 (0.77) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL2509311 1.00 CYP1A2 (0.77) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL2509310 1.00 CYP1A2 (0.77) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL6888824 0.89 ALDH1A1 (0.77) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL954744 0.87 CYP1A2 (1.00) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL954746 0.87 CYP1A2 (1.00) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL15609136 0.87 CYP1A2 (1.00) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL30568029 0.87 CYP1A2 (0.61) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL4821672 0.86 ALDH1A1 (0.77) CYP1A2RXRAALDH1A1RARARARB
SCHEMBL17052744 0.86 ALDH1A1 (0.77) CYP1A2RXRAALDH1A1RARARARB

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-3966967-A Compositions and methods of treating psoriasis with vinyligs of desmethyl retinoic acid THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1976-06-29 US claimed
US-6096765-A Short contact treatment of acne with topical retinoids BERSHAD SUSAN (US) 2000-08-01 US disclosed
US-6083963-A Short contact treatment of photoaging with topical retinoids BERSHAD SUSAN (US) 2000-07-04 US disclosed
US-6071923-A Retinoyloxy aryl-substituted alkylene butyrates useful for the treatment of cancer and other proliferative diseases BAR-ILAN UNIVERSITY (IL) 2000-06-06 US disclosed
US-6048902-A Short contact treatment of psoriasis with topical retinoids BERSHAD, SUSAN 2000-04-11 US disclosed
US-6043277-A ADMINISTERING AS PROLIFERATION INHIBITORS, DIFFERENTIATING AGENTS BAR-ILAN UNIVERSITY (IL) 2000-03-28 US disclosed
US-6040342-A Retinoyloxy (alkyl-substituted) methyl butyrates useful for the treatment of cancer and other proliferative diseases BAR-ILAN UNIVERSITY (IL) 2000-03-21 US disclosed
US-4642318-A PSORIASIS WOLFF KLAUS (AT) 1987-02-10 US disclosed