SCHEMBL7628236

SCHEMBL7628236

C1=C(c2ccccc2)CC(c2ccccc2)=C1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.43
GOPC Q9HD26 1/20 0.43
ALDH1A1 P00352 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
KMT2A Q03164 1/20 0.33
FGF23 Q9GZV9 1/20 0.32
PTGS2 P35354 1/20 0.32
HTR2C P28335 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL1026968 1.00 CFTR (0.43) CFTRGOPCALDH1A1SIGMAR1KMT2A
SCHEMBL28270428 0.89 ALDH1A1 (0.48) CFTRGOPCALDH1A1KMT2APTGS2
SCHEMBL28271995 0.84 TAAR1 (0.53) CFTRGOPCALDH1A1NPC1SMN1; SMN2
SCHEMBL23092049 0.79 MAPK1 (0.48) CFTRGOPCALDH1A1RAB9AMAPT
SCHEMBL28270479 0.79 CYP1A2 (0.44) KMT2ANPC1RAB9ACYP11B1CYP11B2
SCHEMBL28270417 0.77 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL3370517 0.74 CFTR (0.35) CFTRGOPCALDH1A1SIGMAR1HTR2C
Hydrochloric Acid SCHEMBL3370512 0.74 CYP11B1 (0.33) CFTRGOPCALDH1A1SIGMAR1HTR2C
Hydrochloric Acid SCHEMBL3370098 0.74 CFTR (0.40) CFTRGOPCALDH1A1KMT2A
Hydrochloric Acid SCHEMBL3370096 0.74 CFTR (0.40) CFTRGOPCALDH1A1KMT2A

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-6455458-B1 HIGH MOLECULAR WEIGHT POLYOLEFIN; GROUP 4 TRANSITION METAL COMPLEXES HAVING A BIDENTATE ANCILLARY LIGAND SYSTEM OF ONE CYCLOPENTADIENYL GROUP BOUND TO THE TRANSITION METAL AND A GROUP 15 OR GROUP 16 ATOM COVALENTLY BOUND THROUGH A BRIDGING EXXONMOBIL CHEMICAL PATENTS INC. 2002-09-24 US disclosed