SCHEMBL9875240

SCHEMBL9875240

c1ccc2cc3c(c-2cc1)CCCC3

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
PRCP P42785 1/20 0.41
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
CYP2A6 P11509 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL9876421 0.96 CYP2A6 (0.41) TSHRPRCPHTR1AHTR7PARP10
SCHEMBL11023731 0.83 PRCP (0.58) TSHRPRCPHTR1AHTR7PARP10
SCHEMBL30285902 0.83 PRCP (0.58) TSHRPRCPHTR1AHTR7PARP10
SCHEMBL21401875 0.79 PRCP (0.58) PRCPHTR1AHTR7PARP10PARP11
SCHEMBL9876227 0.77 MEN1 (0.49) HTR1AHTR7L3MBTL1PARP10PARP11
SCHEMBL30952395 0.77 ALDH1A1 (0.44) TSHRHPGDBCL2L1BAD
Phosphoric Acid SCHEMBL3931808 0.77 PTPN1 (0.36) PARP10PARP11BCL2L1BAD
SCHEMBL28179848 0.77 TSHR (0.44) TSHRHPGDBCL2L1BAD
SCHEMBL9875676 0.76 MEN1 (0.44) HPGDCYP11B2MAOAMAOB
SCHEMBL28482419 0.76 BCL2L1 (0.52) TSHRPRCPHPGDBCL2L1BAD

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed