SCHEMBL11665128

SCHEMBL11665128

[CH2]CC(C)(O)COc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ KCNA3 P22001 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ ALPL P05186 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ GGPS1 O95749 1/20 0.36

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
SCHEMBL11285190 0.82 HDAC3 (0.42) LMNAALDH1A1RECQLKDM1AKCNA3
SCHEMBL10968500 0.82 LTA4H (0.44) LMNAALDH1A1RECQLKDM1AKCNA3
SCHEMBL29364033 0.82 ALDH1A1 (0.47) LMNAALDH1A1RECQLKDM1AKCNA3
SCHEMBL11665744 0.81 SSTR4 (0.40) CYP2D6SSTR4CYP2C19
SCHEMBL10516249 0.80 MAPT (0.49) LMNAALDH1A1RECQLKDM1AKCNA3
SCHEMBL11664066 0.80 WDR5 (0.46) LMNACYP2D6
SCHEMBL97005 0.79 LMNA (0.47) LMNAALDH1A1RECQLKCNA3CYP2D6
SCHEMBL27276974 0.79 LMNA (0.47) LMNAALDH1A1RECQLKCNA3CYP2D6
SCHEMBL11465579 0.79 ALDH1A1 (0.48) LMNAALDH1A1RECQLKDM1AKCNA3
SCHEMBL11095913 0.78 LMNA (0.45) LMNAALDH1A1RECQLKCNA3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
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