SCHEMBL29319752

SCHEMBL29319752

CCC(C)(C)c1ccc(C(=O)OC2(C)CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
CYP2C9 P11712 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
CYP19A1 P11511 1/20 0.39
HRH3 Q9Y5N1 10/20 0.38
ADORA3 P0DMS8 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL10204896 0.85 CYP19A1 (0.36) CYP2C9RAB9ACYP19A1ADORA3TDP1
SCHEMBL14713746 0.84 CYP2C9 (0.39) MAOBCYP2C9NPC1POLBRAB9A
SCHEMBL25032038 0.83 MAOB (0.38) MAOBCYP2C9NPC1POLBRAB9A
SCHEMBL26226728 0.81 NPC1 (0.36) MAOBCYP2C9NPC1POLBRAB9A
SCHEMBL25468040 0.81 HRH3 (0.37) MAOBCYP2C9NPC1POLBRAB9A
SCHEMBL25834166 0.80 CYP2C9 (0.42) CYP2C9NPC1POLBRAB9AHRH3
SCHEMBL25834165 0.79 CYP2C9 (0.41) CYP2C9NPC1POLBRAB9AHRH3
SCHEMBL25903121 0.79 ADORA3 (0.38) MAOBCYP2C9NPC1POLBRAB9A
SCHEMBL29318985 0.79 ELANE (0.47) CYP19A1ADORA3TDP1CYP1A2CYP2D6
SCHEMBL25468037 0.78 NPC1 (0.36) MAOBCYP2C9NPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240241444-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2024-07-18 US disclosed