SCHEMBL3976376

SCHEMBL3976376

CCCCCNc1ccc(Nc2cccc(C(F)(F)F)c2)c2c1C(=O)OC21c2ccccc2Oc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.39
NPY5R Q15761 1/20 0.39
YAP1 P46937 1/20 0.37
TEAD4 Q15561 1/20 0.37
TEAD2 Q15562 1/20 0.37
STK10 O94804 2/20 0.36
SLK Q9H2G2 2/20 0.36
RXFP1 Q9HBX9 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MPO P05164 2/20 0.35
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
LMNA P02545 1/20 0.34
KIF11 P52732 1/20 0.34
PTK6 Q13882 1/20 0.34
PRKCB P05771 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
SCHEMBL11042774 0.90 MAPT (0.38) YAP1TEAD4TEAD2STK10SLK
SCHEMBL9007807 0.86 KIF11 (0.35) NPY1RNPY5RYAP1TEAD4TEAD2
SCHEMBL4430486 0.82 GAA (0.48) YAP1TEAD4TEAD2STK10SLK
SCHEMBL10770891 0.78 ALDH1A1 (0.47) YAP1TEAD4TEAD2STK10SLK
SCHEMBL4084681 0.77 KDM4E (0.36) MAPTALDH1A1RAB9ASMN1; SMN2CNR2
SCHEMBL10439989 0.77 TERT (0.38) MAPTALDH1A1SMN1; SMN2LMNACNR2
SCHEMBL339448 0.77 TLR8 (0.36) ALDH1A1RAB9ASMN1; SMN2CNR2KDM4E
SCHEMBL8742024 0.76 TERT (0.39) MAPTALDH1A1SMN1; SMN2LMNACNR2
SCHEMBL10922986 0.76 TERT (0.39) MAPTALDH1A1SMN1; SMN2LMNACNR2
SCHEMBL7770382 0.76 GRK6 (0.34) MAPTALDH1A1RAB9ASMN1; SMN2LMNA

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
EP-2069866-A2 PHOTOCURABLE COMPOSITIONS Ciba Holding Inc. (CH) 2009-06-17 EP disclosed
EP-2054769-A1 UV-DOSIS INDICATORS Ciba Holding Inc. (CH) 2009-05-06 EP disclosed
WO-2008040650-A2 PHOTOCURABLE COMPOSITIONS COMPRISING A PHOTOINITIATOR OF THE PHENYLGLYOXYLATE TYPE CIBA HOLDING INC. (CH) 2008-04-10 WO disclosed
WO-2008022952-A1 UV-DOSIS INDICATORS CIBA HOLDING INC. (CH) 2008-02-28 WO disclosed