SCHEMBL11064405

SCHEMBL11064405

CCCCCCCCn1c(C)c(C2(N(c3ccccc3)c3ccc(OCC)cc3)OC(=O)c3ccccc32)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.40
PSEN1 P49768 8/20 0.39
PSEN2 P49810 8/20 0.39
APH1B Q8WW43 8/20 0.39
NCSTN Q92542 8/20 0.39
APH1A Q96BI3 8/20 0.39
PSENEN Q9NZ42 8/20 0.39
PLA2G2A P14555 2/20 0.38
CNR1 P21554 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL11069837 0.97 CYP3A4 (0.38) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL3873669 0.90 SMN1; SMN2 (0.41) CYP3A4ALDH1A1HTT
SCHEMBL11065740 0.89 ALDH1A1 (0.41) CNR2CNR1ALDH1A1HTTSLC6A3
SCHEMBL11067919 0.85 RORA (0.43) CNR2PLA2G2ACNR1ALDH1A1HTT
SCHEMBL3877954 0.81 ALDH1A1 (0.38) CYP3A4ALDH1A1HTT
SCHEMBL11072094 0.81 PLA2G2A (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11062208 0.81 SMN1; SMN2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11063409 0.80 RORA (0.38) CNR2PLA2G2ACNR1ALDH1A1HTT
SCHEMBL11062542 0.79 SMN1; SMN2 (0.44) PLA2G2ACYP3A4ALDH1A1HTT
SCHEMBL11068175 0.79 SMN1; SMN2 (0.42) PLA2G2ACYP3A4ALDH1A1HTT

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
US-4431819-A PRESSURE AND HEAT SENSITIVE ELEMENTS; CARBONLESS COPYING; HECTOGRAPHY; XERORAPHY STERLING DRUG INC. (US) 1984-02-14 US disclosed
US-4251092-A COATED WITH A 3-HETERO-3-(DIPHENYLAMINO)PHTHALIDES COLOR FORMER STERLING DRUG INC. (US) 1981-02-17 US disclosed
US-4182714-A CARBONLESS COLORING DUPLICATING STERLING DRUG INC. (US) 1980-01-08 US disclosed