SCHEMBL9185050

SCHEMBL9185050

c1ccc(C(NCC2CO2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.52
RAB9A P51151 1/20 0.52
GRM7 Q14831 1/20 0.52
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL3397976 0.82 HPGD (0.43) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL9147358 0.81 CHRM2 (0.38) MTORRAB9AGRM7CYP3A4TDP1
SCHEMBL3398090 0.81 MTOR (0.41) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL28260287 0.76 MTOR (0.56) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL3393098 0.75 MTOR (0.42) MTORRAB9AGRM7CYP3A4ALOX15
Isopropylbenzene SCHEMBL11007534 0.74 CHRM2 (0.44) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL3117376 0.74 TDP1 (0.44) TSHRTDP1CHRM2CHRM4CHRM5
SCHEMBL27454746 0.73 MTOR (0.47) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL9321171 0.73 POLB (0.41) CYP3A4CHRM2CHRM4CHRM5CHRM1
SCHEMBL20240390 0.72 RAB9A (0.39) MTORRAB9AGRM7CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110007557-A Solidification compound, film, optical film, illuminated display element panel and luminous display unit 东京应化工业株式会社 2019-07-12 CN disclosed
EP-0526072-B1 Thermosensitive recording material NEW OJI PAPER CO LTD (JP) 1995-09-13 EP disclosed
US-5246906-A Sulfonyl-urea or -thiourea color developer, oil and plasticizer resistant, storage stable OJI PAPER CO., LTD. (JP) 1993-09-21 US disclosed
EP-0526072-A1 Thermosensitive recording material NEW OJI PAPER CO., LTD. (JP) 1993-02-03 EP disclosed
US-4110472-A CEREBROVASCULAR INSUFFICIENCY, PSYCHOSTIMULATION BAYER AKTIENGESELLSCHAFT (DE) 1978-08-29 US disclosed