SCHEMBL13635107

SCHEMBL13635107

CC(C)COCCn1c2ccccc2c2ccc(C(=O)CO)cc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PARP1 P09874 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PSEN1 P49768 3/20 0.39
▸ PSEN2 P49810 3/20 0.39
▸ APH1B Q8WW43 3/20 0.39
▸ NCSTN Q92542 3/20 0.39
▸ APH1A Q96BI3 3/20 0.39
▸ PSENEN Q9NZ42 3/20 0.39
▸ CNR2 P34972 5/20 0.39
▸ SCARB1 Q8WTV0 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ PTGER4 P35408 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
SCHEMBL13011247 0.88 KDM4E (0.57) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL13011160 0.86 SCARB1 (0.50) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL13011658 0.83 POLB (0.42) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL13635121 0.78 PTGER4 (0.60) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL13635681 0.74 CNR2 (0.54) MEN1KMT2AKDM4EMAPTCNR2
SCHEMBL13011241 0.73 PTGER4 (0.57) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL13011164 0.72 PTGER4 (0.52) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL13011269 0.69 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EPARP1PSEN1
SCHEMBL13011140 0.69 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL13011141 0.68 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EPARP1POLB

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
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 — — EP disclosed
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