SCHEMBL13101779

SCHEMBL13101779

C=C(c1ccccc1)c1ccccc1C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.45
▸ CES1 P23141 3/20 0.45
▸ KDM4C Q9H3R0 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ AKR1C3 P42330 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ DAO P14920 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ AKR1C2 P52895 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ GAA P10253 1/20 0.39

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
SCHEMBL5694037 0.84 MEN1 (0.48) CES2CES1MAPTSMN1; SMN2MEN1
SCHEMBL13101653 0.83 ALDH1A1 (0.64) MAPTSMN1; SMN2ATMAKR1C3ALDH1A1
SCHEMBL30099839 0.83 ALDH1A1 (0.64) MAPTSMN1; SMN2ATMAKR1C3ALDH1A1
Hydrochloric Acid SCHEMBL23294765 0.81 ALDH1A1 (0.61) MAPTSMN1; SMN2ATMAKR1C3ALDH1A1
SCHEMBL14041790 0.80 ALDH1A1 (0.46) CES2CES1MAPTSMN1; SMN2MEN1
Acetic Acid SCHEMBL28857071 0.80 MEN1 (0.56) CES2CES1MAPTSMN1; SMN2MEN1
Acetone SCHEMBL21933501 0.80 MEN1 (0.56) CES2CES1MAPTSMN1; SMN2MEN1
SCHEMBL279655 0.79 ALDH1A1 (0.53) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL13101770 0.79 TSHR (0.59) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL547081 0.78 MAPT (0.61) CES2CES1MAPTSMN1; SMN2MEN1

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-8323854-B2 Photopolymer media with enhanced dynamic range AKONIA HOLOGRAPHICS, LLC (US) 2012-12-04 — — US disclosed
US-20100273096-A1 PHOTOPOLYMER MEDIA WITH ENHANCED DYNAMIC RANGE INPHASE TECHNOLOGIES, INC. (US) 2010-10-28 — — US disclosed
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