SCHEMBL11637985

SCHEMBL11637985

CC1(C(=O)O)CC2(CCC2)C1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.55
NFKB1 P19838 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2C19 P33261 2/20 0.33
TP53 P04637 1/20 0.33
THPO P40225 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL16700713 0.90 FFAR3 (0.60) FFAR3NFKB1MAPK1CYP2C19TP53
SCHEMBL11640019 0.80 FFAR3 (0.36) FFAR3SMN1; SMN2
SCHEMBL17893172 0.79 FFAR3 (0.60) FFAR3NFKB1MAPK1CYP2C19TP53
SCHEMBL264769 0.78
SCHEMBL25831449 0.78 FFAR3 (0.35) FFAR3
SCHEMBL405480 0.78 FFAR3 (0.65) FFAR3NFKB1MAPK1CYP2C19TP53
SCHEMBL4442780 0.78 FFAR3 (0.65) FFAR3NFKB1MAPK1CYP2C19TP53
SCHEMBL13490845 0.78 FFAR3 (0.65) FFAR3NFKB1MAPK1CYP2C19TP53
SCHEMBL14012097 0.78 FFAR3 (0.65) FFAR3NFKB1MAPK1CYP2C19TP53
SCHEMBL503244 0.78 FFAR3 (0.65) FFAR3NFKB1MAPK1CYP2C19TP53

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
CN-112313208-B Bicyclic carboxamides and methods of use thereof 泰普斯特医疗公司 2024-04-19 CN disclosed
US-4098823-A VASODILATION, HYPOTENSIVE AGENTS, ANTICOAGULATNS, ANTISECRETORY AGENTS, INOTROPIC AGENTS MILES LABORATORIES, INC. (US) 1978-07-04 US disclosed