SCHEMBL451895

SCHEMBL451895

C=C(C(N)=O)c1ccc(Cc2ccc(C(=C)C(N)=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.53
PLA2G2A P14555 1/20 0.53
KMT2A Q03164 1/20 0.50
CYP17A1 P05093 1/20 0.46
LMNA P02545 1/20 0.44
SRD5A2 P31213 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
PARP10 Q53GL7 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL29157755 0.92 PLA2G2A (0.67) PLA2G10PLA2G2AKMT2ACYP17A1LMNA
SCHEMBL1450228 0.86 PARP10 (0.39) PLA2G10PLA2G2AKMT2ALMNASRD5A2
SCHEMBL2225730 0.83 ALDH1A1 (0.55) LMNACA2ALDH1A1TDP1F2
SCHEMBL31050199 0.79 NOS3 (0.46) HDAC6HDAC1ALDH1A1TSHRSMN1; SMN2
SCHEMBL9472086 0.79 EPHX1 (0.54) KMT2ALMNAALDH1A1TSHRESR1
SCHEMBL29183250 0.77 THRA (0.58) KMT2AALDH1A1HPGDHSD17B10PLK1
SCHEMBL1033882 0.77 TSHR (0.57) SRD5A2CA12CA1CA2CA9
SCHEMBL11798461 0.77 PARP10 (0.47) KMT2ALMNACA12CA1CA2
SCHEMBL1382348 0.77 MAPT (0.50) LMNASRD5A2CA12CA1CA2
SCHEMBL7134591 0.77 PLA2G10 (0.83) PLA2G10PLA2G2AKMT2ACYP17A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064287-A1 AEROGEL COMPOSITE AND METHOD OF MANUFACTURING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-03-15 US claimed
US-20120064287-A1 AEROGEL COMPOSITE AND METHOD OF MANUFACTURING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-03-15 US disclosed