SCHEMBL10993555

SCHEMBL10993555

CC1=C(C=C/C(C)=C/c2ccc(C(N)=O)s2)C(C)(C)CCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 6/20 0.58
▸ RARB P10826 6/20 0.58
▸ RARG P13631 6/20 0.58
▸ CYP1A2 P05177 2/20 0.50
▸ RXRA P19793 7/20 0.49
▸ RXRB P28702 4/20 0.49
▸ RXRG P48443 4/20 0.49
▸ ALDH1A1 P00352 8/20 0.49
▸ MAPT P10636 5/20 0.49
▸ CYP3A4 P08684 5/20 0.49
▸ PTGS1 P23219 4/20 0.49
▸ HIF1A Q16665 4/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ BLM P54132 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ ALOX15 P16050 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ RORC P51449 2/20 0.49
▸ ADORA3 P0DMS8 2/20 0.49
▸ DRD3 P35462 2/20 0.49

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
SCHEMBL10993552 1.00 RARA (0.58) RARARARBRARGCYP1A2RXRA
SCHEMBL10993557 1.00 RARA (0.58) RARARARBRARGCYP1A2RXRA
SCHEMBL9067691 0.90 RARA (0.65) RARARARBRARGCYP1A2RXRA
SCHEMBL9067692 0.90 RARA (0.65) RARARARBRARGCYP1A2RXRA
SCHEMBL10990211 0.90 RARA (0.65) RARARARBRARGCYP1A2RXRA
SCHEMBL10991291 0.88 RARA (0.54) RARARARBRARGCYP1A2RXRA
SCHEMBL10991294 0.88 RARA (0.54) RARARARBRARGCYP1A2RXRA
SCHEMBL10991283 0.88 RARA (0.54) RARARARBRARGCYP1A2RXRA
SCHEMBL10993619 0.87 RARA (0.56) RARARARBRARGCYP1A2RXRA
SCHEMBL10993615 0.87 RARA (0.56) RARARARBRARGCYP1A2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4518609-A ANTITUMOR, SKIN DISORDERS SRI INTERNATIONAL (US) 1985-05-21 — — US disclosed
US-4456618-A ANTITUMOR AGENTS, TREATMENT OF SKIN DISORDERS SRI INTERNATIONAL (US) 1984-06-26 — — US disclosed
Send feedback