SCHEMBL9129455

SCHEMBL9129455

CC(C[CH]c1cccc2ccccc12)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.45
SIGMAR1 Q99720 3/20 0.39
CAPN1 P07384 2/20 0.38
CTSB P07858 1/20 0.38
SMPD2 O60906 1/20 0.38
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TAAR1 Q96RJ0 3/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC6A2 P23975 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL27544275 0.77 SMPD2 (0.40) SMPD2KDM4EALDH1A1F2LMNA
SCHEMBL4817482 0.75 SMPD2 (0.43) SMPD2KDM4ECYP2A6ALDH1A1F2
SCHEMBL9859576 0.73 SMPD2 (0.43) SMPD2TAAR1KDM4ESLC6A4ALDH1A1
SCHEMBL1408586 0.72 MME (0.41) ACP3SIGMAR1TAAR1MMEACE
SCHEMBL6028188 0.72 SMPD2 (0.41) SMPD2KDM4EALDH1A1F2LMNA
SCHEMBL6709451 0.71 SMPD2 (0.53) SMPD2MMEACECPA1ACE2
SCHEMBL5254370 0.70 RXRA (0.41) SMPD2KDM4ECYP2A6ALDH1A1
SCHEMBL27675011 0.70 MME (0.42) ACP3MMEACECPA1ACE2
SCHEMBL8325158 0.70 TAAR1 (0.44) ACP3SIGMAR1CAPN1CTSBSMPD2
SCHEMBL28048725 0.68 SIGMAR1 (0.47) ACP3SIGMAR1TAAR1MMEACE

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-5457204-A For polymers CIBA-GEIGY CORPORATION (US) 1995-10-10 US disclosed