SCHEMBL4189468

SCHEMBL4189468

CC(Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.55
SIGMAR1 Q99720 3/20 0.50
TAAR1 Q96RJ0 4/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC18A2 Q05940 1/20 0.46
CYP2D6 P10635 1/20 0.46
EPHX2 P34913 2/20 0.45

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
SCHEMBL8882832 0.83 HTR2A (0.60) SIGMAR1CYP2A6ALDH1A1CYP1A2CYP2C9
SCHEMBL14667582 0.80 ACP3 (0.50) ACP3SIGMAR1TAAR1SLC6A2SLC6A4
SCHEMBL28926750 0.79 ACP3 (0.61) ACP3SLC6A4ALDH1A1CYP1A2CYP2C9
SCHEMBL15211048 0.79 TSHR (0.55) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2127427 0.79 TSHR (0.55) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9540265 0.78 ACP3 (0.49) ACP3SIGMAR1TAAR1SLC6A2SLC6A4
SCHEMBL6898607 0.78 ACP3 (0.55) ACP3SIGMAR1TAAR1SLC6A2SLC6A4
SCHEMBL3283005 0.78 ACP3 (0.55) ACP3SIGMAR1TAAR1SLC6A2SLC6A4
SCHEMBL7586118 0.77 SLC6A2 (0.49) ACP3SIGMAR1TAAR1SLC6A2SLC6A4
SCHEMBL3410469 0.77 ALDH1A1 (0.50) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1543984-B1 Heat-sensitive recording material for double-sided printing MITSUBISHI HITEC PAPER FLENSBU (DE) 2009-02-25 EP disclosed
EP-0138741-B1 TEMPERATURE-INDICATING SHEET Matsumoto Kosan Kabushiki Kaisha (JP) 1990-11-07 EP disclosed
US-4601588-A COMPONENT WHICH MELTS AT A PORESCRIBED TEMPERATURE AND CHANGES COLOR, INDICATING FRESHNESS OF FROZEN FOODS MATSUMOTO KOSAN KABUSHIKI KAISHA (JP) 1986-07-22 US disclosed
EP-0138741-A2 Temperature-indicating sheet Matsumoto Kosan Kabushiki Kaisha (JP) 1985-04-24 EP disclosed
US-3979324-A BENZYLNAPHTHALENE COMPOUND MONSANTO COMPANY (US) 1976-09-07 US disclosed