SCHEMBL24133345

SCHEMBL24133345

CCCCc1ccc(Bc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ PSMB5 P28074 1/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ RARB P10826 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ ESR1 P03372 2/20 0.42
▸ ADRA2A P08913 2/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ TACR2 P21452 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A3 Q01959 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
SCHEMBL2063600 0.92 CA2 (0.52) ALDH1A1HSD17B10HPGDTRPV1CA2
SCHEMBL6131261 0.81 ALDH1A1 (0.57) HSD11B1ALDH1A1HSD17B10HPGDTRPV1
Butylbenzyl SCHEMBL22716183 0.80 SIGMAR1 (0.59) HSD11B1ALDH1A1HSD17B10HPGDKCNH2
Butylbenzyl SCHEMBL3229215 0.80 SIGMAR1 (0.59) HSD11B1ALDH1A1HSD17B10HPGDKCNH2
Butylbenzyl SCHEMBL16051 0.80 SIGMAR1 (0.59) HSD11B1ALDH1A1HSD17B10HPGDKCNH2
SCHEMBL14188113 0.79 TP53 (0.59) ALDH1A1SMN1; SMN2KDM4ELMNATP53
Butylbenzyl SCHEMBL9545214 0.78 SIGMAR1 (0.57) HSD11B1ALDH1A1HSD17B10HPGDKCNH2
Butylbenzyl SCHEMBL11606144 0.78 ALDH1A1 (0.59) HSD11B1ALDH1A1HSD17B10HPGDTRPV1
Butylbenzyl SCHEMBL7713579 0.78 SIGMAR1 (0.57) HSD11B1ALDH1A1HSD17B10HPGDTRPV1
Butylbenzyl SCHEMBL11774005 0.78 SIGMAR1 (0.57) HSD11B1ALDH1A1HSD17B10HPGDTRPV1

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-11209582-B2 Composition, curable composition, cured film, near infrared cut filter, infrared transmitting filter, solid image pickup element, infrared sensor, and camera module FUJIFILM CORPORATION (JP) 2021-12-28 — — US disclosed
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