SCHEMBL8105153

SCHEMBL8105153

[CH2]C(C[CH]c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C19 P33261 1/20 0.38
HTR2A P28223 5/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
HRH1 P35367 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
GRM7 Q14831 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL11669325 0.86 LMNA (0.36) TSHRCYP2A6HTR2ASMN1; SMN2RAB9A
SCHEMBL8356158 0.81 HTR2A (0.44) ALDH1A1TSHRCYP2A6CYP2C19HTR2A
SCHEMBL6028571 0.77 HTR2A (0.44) ALDH1A1TSHRCYP2A6CYP2C19HTR2A
SCHEMBL3996056 0.76 CYP2C19 (0.55) ALDH1A1TSHRCYP2C19HTR2ATAAR1
SCHEMBL14910878 0.76 TAAR1 (0.50) HTR2ATAAR1
SCHEMBL3022200 0.74 CYP2C19 (0.39) TSHRCYP2C19HTR2ATAAR1SMN1; SMN2
SCHEMBL2452392 0.74 CYP2C19 (0.44) ALDH1A1TSHRCYP2A6CYP2C19HTR2A
SCHEMBL10510095 0.74 CYP2C19 (0.39) ALDH1A1CYP2C19HTR2ATAAR1SMN1; SMN2
SCHEMBL13279744 0.73 HTR2A (0.40) TSHRCYP2C19HTR2ATAAR1HRH1
SCHEMBL543436 0.71 HTR2A (0.47) ALDH1A1TSHRCYP2A6CYP2C19HTR2A

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-6025113-A FOR PREPARING HIGHLY SENSITIVE NEGATIVE-WORKING PHOTOSENSITIVE MATERIAL DEVELOPABLE WITH ALKALINE AQUEOUS SOLUTION IN SHORT TIME WITH HIGH RESOLUTION HITACHI CHEMICAL COMPANY, LTD. (JP) 2000-02-15 US disclosed