SCHEMBL4381836

SCHEMBL4381836

CCC(C)(CC)C(=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
FFAR3 O14843 2/20 0.35
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TET2 Q6N021 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1301910 0.85 CYP2C19 (0.54) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL9247690 0.77 TSHR (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL166880 0.77 TSHR (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL184957 0.75
SCHEMBL27692594 0.74 LMNA (0.32) TSHRCYP2D6CYP2C19HIF1ATDP1
SCHEMBL2932467 0.74 TSHR (0.45) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL7976063 0.74 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL4425053 0.74 TSHR (0.45) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL21029604 0.74 FKBP1A (0.32) TSHRCYP2D6CYP2C19HIF1ATDP1
SCHEMBL24602338 0.74 CYP2D6 (0.32) TSHRCYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376694-B2 Method for preparing optically active amino acid using cosubstrate shuttling of transaminase INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-06-28 US claimed
US-20150284750-A1 METHOD FOR PREPARING OPTICALLY ACTIVE AMINO ACID USING COSUBSTRATE SHUTTLING OF TRANSAMINASE INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2015-10-08 US claimed
US-8211351-B2 Resorbable polymeric medical goods with improved mechanical properties and method for producing same SYNTHES USA, LLC (US) 2012-07-03 US claimed
US-20090030415-A1 RESORBABLE POLYMERIC MEDICAL GOODS WITH IMPROVED MECHANICAL PROPERTIES AND METHOD FOR PRODUCING SAME SYNTHES USA, LLC 2009-01-29 US claimed
EP-1744792-A1 RESORBABLE POLYMERIC MEDICAL GOODS WITH IMPROVED MECHANICAL PROPERTIES AND METHOD FOR PRODUCING SAME Synthes GmbH (CH) 2007-01-24 EP claimed
WO-2005110506-A1 RESORBABLE POLYMERIC MEDICAL GOODS WITH IMPROVED MECHANICAL PROPERTIES AND METHOD FOR PRODUCING SAME SYNTHES GMBH (CH) 2005-11-24 WO claimed
EP-2999457-B1 MICROCAPSULES CONTAINING A GAS-GENERATING PHOTOLABILE KETOACID OR KETOESTER AND USES THEREOF FIRMENICH & CIE (CH) 2018-07-11 EP disclosed
US-9738859-B2 Microcapsules containing a gas-generating photolabile ketoacid or ketoester and uses thereof FIRMENICH SA (CH) 2017-08-22 US disclosed
US-9376694-B2 Method for preparing optically active amino acid using cosubstrate shuttling of transaminase INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-06-28 US disclosed
US-20160108346-A1 MICROCAPSULES CONTAINING A GAS-GENERATING PHOTOLABILE KETOACID OR KETOESTER AND USES THEREOF FIRMENICH SA (CH) 2016-04-21 US disclosed
US-20150284750-A1 METHOD FOR PREPARING OPTICALLY ACTIVE AMINO ACID USING COSUBSTRATE SHUTTLING OF TRANSAMINASE INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2015-10-08 US disclosed