SCHEMBL28653386

SCHEMBL28653386

COc1ccc(CCC2OC2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
FFAR1 O14842 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
LDHA P00338 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALOX5 P09917 1/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
CALM1 P0DP23 1/20 0.42

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
SCHEMBL8056399 0.84 TLR9 (0.51) F2RL1KMT2AKDM4EALDH1A1TAAR1
SCHEMBL6069576 0.80 FASN (0.47) KDM4EALDH1A1FFAR1SMN1; SMN2
SCHEMBL6069567 0.80 FASN (0.47) KDM4EALDH1A1FFAR1SMN1; SMN2
SCHEMBL4604644 0.80 FASN (0.47) KDM4EALDH1A1FFAR1SMN1; SMN2
SCHEMBL6817041 0.80 FASN (0.47) KDM4EALDH1A1FFAR1SMN1; SMN2
SCHEMBL9618008 0.79 CALM1 (0.49) F2RL1KMT2AKDM4ETAAR1SMN1; SMN2
SCHEMBL11188243 0.75 LDHA (0.47) F2RL1KMT2AKDM4EALDH1A1TAAR1
SCHEMBL11401456 0.71 TLR9 (0.50) F2RL1ALDH1A1SMN1; SMN2LDHANPC1
SCHEMBL9258771 0.70 EDNRA (0.54) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7293698 0.70 EDNRA (0.54) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114007734-A Method for preparing capsules 宝洁公司 2022-02-01 CN disclosed
CN-113660926-A Capsule 宝洁公司 2021-11-16 CN disclosed
CN-113631695-A Capsule 宝洁公司 2021-11-09 CN disclosed