SCHEMBL9433544

SCHEMBL9433544

CN(Cc1ccccc1)C1=CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CSF1R P07333 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MITF O75030 2/20 0.43
KDM4E B2RXH2 1/20 0.43
AOC3 Q16853 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CXCR3 P49682 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
G6PC1 P35575 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.39
SLC18A3 Q16572 1/20 0.38
CARM1 Q86X55 1/20 0.38

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
SCHEMBL3374401 0.77 TSHR (0.52) TSHRALDH1A1NPC1RAB9AMITF
SCHEMBL25397829 0.76 TSHR (0.50) TSHRALDH1A1NPC1RAB9AMITF
SCHEMBL10870183 0.75 ALDH1A1 (0.44) ALDH1A1RAB9ACXCR3
SCHEMBL11782357 0.74 CHKA (0.36) TSHRALDH1A1RAB9ACXCR3LMNA
SCHEMBL3375286 0.72 TSHR (0.56) TSHRALDH1A1NPC1RAB9AAOC3
SCHEMBL3455049 0.71 TSHR (0.50) TSHRALDH1A1NPC1RAB9APOLB
SCHEMBL7118190 0.70 ALDH1A1 (0.44) ALDH1A1RAB9AKDM4ECXCR3POLB
SCHEMBL11782372 0.70 TSHR (0.38) TSHRALDH1A1CSF1RRAB9ACRHBP
SCHEMBL24110115 0.70 TSPO (0.51) ALDH1A1NPC1RAB9AKDM4ECRHBP
SCHEMBL7776734 0.69 ALDH1A1 (0.41) ALDH1A1RAB9ACXCR3

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-5367073-A Hydroboration followed by oxidation, intermediates for drugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-11-22 US disclosed