SCHEMBL7032038

SCHEMBL7032038

CC1(C)C=C(c2ccccc2)CC(C)(C)C1(O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCD5 Q86SK9 1/20 0.31
HDAC4 P56524 2/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
Methane SCHEMBL28793204 0.76 NPC1 (0.40) NPC1RAB9AHDAC1HDAC2ALDH1A1
SCHEMBL28972364 0.70 HDAC1 (0.39) NPC1RAB9AHDAC1HDAC2ALDH1A1
SCHEMBL9842987 0.70 NPC1 (0.36) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL21242653 0.70 NPC1 (0.43) NPC1RAB9AHDAC1HDAC2ALDH1A1
SCHEMBL14491867 0.69 NPC1 (0.43) NPC1RAB9AHDAC1HDAC2ALDH1A1
Methane SCHEMBL28832437 0.65 NPC1 (0.36) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL28179097 0.64 NPC1 (0.36) NPC1RAB9AHDAC1HDAC2ALDH1A1
SCHEMBL28909755 0.63 NPC1 (0.38) NPC1RAB9AHDAC1HDAC2ALDH1A1
SCHEMBL12200085 0.62 KDM1A (0.39) NPC1RAB9AHDAC1HDAC2ALDH1A1
SCHEMBL8007243 0.60 NPC1 (0.93) NPC1RAB9AALDH1A1LMNAHPGD

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
EP-1290058-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2003-03-12 EP claimed
WO-2001088013-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC (US) 2001-11-22 WO claimed
CN-110105545-B Epoxy resin curing agent 陕西生益科技有限公司 2021-07-30 CN disclosed