SCHEMBL6385083

SCHEMBL6385083

Cc1cc(-c2ccc(C(F)(F)F)cc2)sc1CC(C)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
FFAR1 O14842 2/20 0.37
TRPV3 Q8NET8 4/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PDE2A O00408 1/20 0.35
STK17B O94768 1/20 0.35
JAK2 O60674 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
ESR1 P03372 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
SCHEMBL2245501 0.83 CCR1 (0.40) CCR1STK17BJAK2PSEN1PSEN2
SCHEMBL6385846 0.81 FBP1 (0.39) CCR1FFAR1STK17BJAK2PSEN1
SCHEMBL6383912 0.78 KCNH2 (0.39) CCR1FFAR1STK17BJAK2PPARD
SCHEMBL13780397 0.78 AKR1C3 (0.41) CCR1FFAR1TRPV3STK17BJAK2
SCHEMBL3957943 0.78 AKR1C3 (0.41) CCR1FFAR1TRPV3STK17BJAK2
SCHEMBL2244394 0.77 CCR1 (0.40) CCR1FFAR1STK17BJAK2ESR1
SCHEMBL6383920 0.77 KCNH2 (0.39) CCR1FFAR1STK17BJAK2PPARD
SCHEMBL3960372 0.74 PDE2A (0.38) TRPV3PDE2ASTK17BAKR1C3AKR1C2
SCHEMBL6387932 0.74 CCR1 (0.38) CCR1FFAR1STK17BJAK2PPARD
SCHEMBL2654304 0.74 RXRA (0.47) TRPV3AKR1C3AKR1C2PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583754-A1 THIOPHENE DERIVATIVE PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-12 EP disclosed
WO-2004063184-A1 THIOPHENE DERIVATIVE PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed