SCHEMBL7734087

SCHEMBL7734087

COC(=O)CCCc1cc(-c2ccccc2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.52
KDM4E B2RXH2 2/20 0.48
APOBEC3A P31941 1/20 0.48
GFER P55789 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
CYP1A2 P05177 1/20 0.47
F10 P00742 1/20 0.46
LTB4R Q15722 1/20 0.45
EGFR P00533 1/20 0.45
BACE1 P56817 1/20 0.44
HDAC2 Q92769 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
DHFR P00374 1/20 0.43
HNF4A P41235 1/20 0.43
MCL1 Q07820 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
HSD17B1 P14061 2/20 0.42

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
SCHEMBL27694509 0.82 CYP1A2 (0.51) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL9128626 0.81 ALDH1A1 (0.55) CYP1A2EGFRALDH1A1MTNR1AMTNR1B
SCHEMBL7117086 0.81 CYP4F2 (0.49) CYP1A2ALDH1A1MAPT
SCHEMBL7724935 0.80 MEN1 (0.49) KDM4ELTB4RMEN1ALDH1A1MAPT
SCHEMBL2541520 0.79 PTGER4 (0.61) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL17274556 0.78 MTNR1A (0.45) KDM4ECYP1A2EGFRMEN1ALDH1A1
SCHEMBL2536319 0.78 CYP4F2 (0.55) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL1024737 0.77 CYP1A2 (0.55) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL7725121 0.77 BACE1 (0.55) HDAC1BACE1
SCHEMBL9362082 0.77 PTGER1 (0.48) LTB4RALDH1A1MAPTKMT2A

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-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed