SCHEMBL28041732

SCHEMBL28041732

CC(C)=CCc1cccc(I)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
RAB9A P51151 1/20 0.44
HIF1A Q16665 1/20 0.44
IDO1 P14902 2/20 0.44
GGPS1 O95749 1/20 0.39
LMNA P02545 2/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
TACR1 P25103 1/20 0.36
APP P05067 1/20 0.34
HTT P42858 2/20 0.34
XPO1 O14980 1/20 0.34
PTGS2 P35354 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
SCHEMBL1904000 0.86 GGPS1 (0.47) CYP1A2CYP2D6CYP2C19GGPS1LMNA
SCHEMBL8848832 0.78 TAAR1 (0.47) CYP2D6IDO1GGPS1AKR1C3AKR1C2
SCHEMBL2811400 0.78 PRSS1 (0.44) GGPS1CYP19A1AKR1C3AKR1C2HTT
SCHEMBL27314752 0.78 GGPS1 (0.43) CYP1A2GGPS1CYP19A1AKR1C3AKR1C2
SCHEMBL2229094 0.77 MAOB (0.47) GGPS1CYP19A1AKR1C3AKR1C2
SCHEMBL9454043 0.77 GGPS1 (0.42) GGPS1LMNASMN1; SMN2CYP19A1AKR1C3
SCHEMBL3800542 0.77 AKR1C3 (0.39) GGPS1LMNACYP19A1AKR1C3AKR1C2
SCHEMBL13189961 0.77 GGPS1 (0.42) GGPS1LMNASMN1; SMN2CYP19A1AKR1C3
SCHEMBL27259071 0.77 TAAR1 (0.46) IDO1SMN1; SMN2
SCHEMBL27346370 0.77 NOS1 (0.51) GGPS1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111419830-B Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epileptic related syndromes 比皮艾思药物研发有限公司 2024-01-30 CN disclosed
CN-115996905-A Phenylalkyl carbamate compounds for use in preventing or treating neurodegenerative diseases 生物药品解决方案有限公司 2023-04-21 CN disclosed
CN-111419830-A Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epilepsy-related syndromes 比皮艾思药物研发有限公司 2020-07-17 CN disclosed
CN-105209027-A Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epilepsy-related syndromes BIO PHARM SOLUTIONS CO LTD 2015-12-30 CN disclosed