SCHEMBL6463622

SCHEMBL6463622

Cc1ccc(C(=O)c2ccc(Oc3cccc(-c4ccccc4)c3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.61
▸ SRD5A2 P31213 5/20 0.57
▸ POLB P06746 1/20 0.52
▸ FFAR1 O14842 2/20 0.52
▸ MAPK14 Q16539 1/20 0.50
▸ AKR1C3 P42330 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ RXRA P19793 1/20 0.48
▸ RXRB P28702 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ACACB O00763 1/20 0.47
▸ ACACA Q13085 1/20 0.47

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
SCHEMBL14417496 0.89 SRD5A2 (0.66) FFAR4SRD5A2POLBMAPK14AKR1C3
SCHEMBL12757136 0.89 SRD5A2 (0.61) FFAR4SRD5A2POLBMAPK14AKR1C3
SCHEMBL15760407 0.88 SRD5A2 (0.58) FFAR4SRD5A2POLBMAPK14AKR1C3
SCHEMBL13375679 0.87 SRD5A2 (0.72) SRD5A2POLBMAPK14AKR1C3ALDH1A1
SCHEMBL14288321 0.86 AKR1C3 (0.62) SRD5A2POLBMAPK14AKR1C3TDP1
SCHEMBL13837372 0.85 FFAR4 (0.49) FFAR4SRD5A2POLBMAPK14AKR1C3
SCHEMBL6425454 0.84 SRD5A2 (0.67) SRD5A2POLBMAPK14AKR1C3ALDH1A1
SCHEMBL11974584 0.82 ALDH1A1 (0.64) SRD5A2MAPK14MAPTALDH1A1LMNA
SCHEMBL760051 0.82 ALDH1A1 (0.64) SRD5A2MAPK14MAPTALDH1A1LMNA
SCHEMBL14232276 0.82 FFAR4 (0.58) FFAR4FFAR1MAPTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8169882-B2 High density data storage medium, method and device INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-05-01 — — US disclosed
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