SCHEMBL18873153

SCHEMBL18873153

CNC(=O)Cc1cccc(C(=O)O)ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.47
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C1 Q04828 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
MEP1B Q16820 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
PTPN1 P18031 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3569832 0.82 KMT2A (0.56) TSHRKDM4ECYP2C9AKR1C3KMT2A
SCHEMBL27360370 0.74 KDM4E (0.47) TSHRKDM4EAKR1C3AKR1C2AKR1B10
SCHEMBL12700259 0.73 HIF1A (0.56) TSHRKDM4ECYP2C9KMT2APOLB
SCHEMBL27554809 0.73 KDM4E (0.44) TSHRKDM4EAKR1C3AKR1C2AKR1B10
SCHEMBL27560436 0.72 CA1 (0.43) TSHRKDM4EAKR1C3AKR1C2AKR1B10
SCHEMBL1648220 0.72 ALDH1A1 (0.47) TSHRKDM4EKMT2APTPN1MEN1
SCHEMBL11223069 0.71 ABCB11 (0.58)
SCHEMBL28110730 0.71 GABRA1 (0.50) TSHRKDM4ECYP2C9AKR1C3AKR1C2
Terephthalic Acid SCHEMBL5165105 0.70 KDM4E (0.69) TSHRKDM4ECYP2C8CYP2C9KMT2A
SCHEMBL1355542 0.70 ALDH1A1 (0.52) TSHRKDM4EKMT2APOLBPTPN1

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
US-9649791-B2 Optical film and method of preparing optical film SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-05-16 US disclosed