SCHEMBL11698205

SCHEMBL11698205

C=C(CC)c1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.54
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
CYP3A4 P08684 3/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
MAOA P21397 1/20 0.45
MASP2 O00187 1/20 0.41
PLAU P00749 1/20 0.41
THPO P40225 1/20 0.41
TSHR P16473 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4D Q08499 1/20 0.40
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
APEX1 P27695 1/20 0.39
PRSS3 P35030 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2263489 0.87 NR1I2 (0.42) ESR1ESR2CYP3A4LMNACYP1A2
SCHEMBL14330440 0.82 CYP19A1 (0.45) CYP19A1ESR1ESR2CYP3A4LMNA
SCHEMBL11696345 0.79 LMNA (0.47) CYP19A1ESR1ESR2CYP3A4LMNA
SCHEMBL8410387 0.78 SLC6A4 (0.36) ESR1ESR2CYP3A4LMNACYP1A2
SCHEMBL5704306 0.78 ALDH1A1 (0.44) LMNAMEN1KMT2ATDP1ALDH1A1
SCHEMBL5749794 0.78 ESR1 (0.58) CYP19A1ESR1ESR2CYP3A4LMNA
SCHEMBL19453319 0.77 LOXL2 (0.48)
SCHEMBL2015853 0.76 MAOA (0.55) CYP3A4LMNAMAOATSHRMEN1
SCHEMBL5178198 0.76 MAOA (0.47) CYP3A4CYP1A2MAOACYP2C9CYP2C19
SCHEMBL10413993 0.76 MAOA (0.55) LMNAMAOA

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-106468802-A Light guide plate compositionss, light guide plate and its preparation method, side light emitting-type surface illuminating device JSR株式会社 2017-03-01 CN disclosed
WO-2010114636-A1 COMPOSITIONS FOR TREATMENT OF ALZHEIMER'S DISEASE MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2010-10-07 WO disclosed
US-4008275-A Process for isolating 4,4'-diaminodiphenylmethane THE UPJOHN COMPANY (US) 1977-02-15 US disclosed