SCHEMBL11051471

SCHEMBL11051471

Cc1ccccc1C=CCBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
TSHR P16473 3/20 0.46
KDM4E B2RXH2 6/20 0.43
RAB9A P51151 5/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MEN1 O00255 1/20 0.42
PABPC1 P11940 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 2/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ACHE P22303 1/20 0.38
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 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
SCHEMBL11801745 1.00 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL4446285 0.80 PTGER1 (0.51) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL4446287 0.80 PTGER1 (0.51) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL2313488 0.80 ALDH1A1 (0.48) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL29373824 0.80 ALDH1A1 (0.48) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL1276606 0.80 ALDH1A1 (0.48) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL19661446 0.78 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL7292415 0.78 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL9477274 0.78 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A
SCHEMBL4078766 0.78 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ERAB9AAPOBEC3A

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-4484993-A ULTRASONIC ENERGY DAIKIN KOGYO CO., LTD. (JP) 1984-11-27 US disclosed
US-3956374-A Aryl-oxo-heptenoic acids MERCK & CO., INC. (US) 1976-05-11 US disclosed