SCHEMBL31347355

SCHEMBL31347355

CCC(C)(C)C(C)C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
HTR2A P28223 1/20 0.51
HRH1 P35367 1/20 0.51
KCNH2 Q12809 1/20 0.51
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MDM2 Q00987 1/20 0.43
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PRSS1 P07477 2/20 0.42
CTSG P08311 2/20 0.42
CTRB1 P17538 2/20 0.42
CMA1 P23946 2/20 0.42
LMNA P02545 3/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41

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
SCHEMBL15658023 0.80 PGR (0.48) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL27988949 0.79 PGR (0.47) PGRADRA2AADRA2BHTR2AHRH1
Alcohol SCHEMBL28317045 0.77 PGR (0.55) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL9850550 0.77 PGR (0.46) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL15040910 0.75 CYP1A2 (0.37) HTR2AHRH1CYP1A2TDP1MAPT
SCHEMBL1572639 0.75 CYP1A2 (0.37) HTR2AHRH1CYP1A2TDP1MAPT
SCHEMBL28283115 0.75 TDP1 (0.56) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL163939 0.75 TDP1 (0.56) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL2201172 0.75 CES1 (0.48) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL27325598 0.75 PGR (0.47) PGRADRA2AADRA2BHTR2AHRH1

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-119587466-A Amorolfine hydrochloride liniment and its preparing process 江苏晨牌邦德药业有限公司 2025-03-11 CN claimed
CN-119587466-A Amorolfine hydrochloride liniment and its preparing process 江苏晨牌邦德药业有限公司 2025-03-11 CN disclosed