SCHEMBL11684208

SCHEMBL11684208

O=C(O)c1ccc(C(=O)O)c(CCc2ccc(Br)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
TSHR P16473 1/20 0.45
AKR1C3 P42330 1/20 0.44
POLB P06746 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
COPS5 Q92905 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
PDPK1 O15530 1/20 0.40
HDAC1 Q13547 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CCR6 P51684 1/20 0.40

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
SCHEMBL11687234 0.89 RXRA (0.45) RXRARXRBTSHRAKR1C3POLB
SCHEMBL11598778 0.85 TSHR (0.53) TSHRAKR1C3HDAC1KDM4E
SCHEMBL28422098 0.84 KDM4E (0.52) TSHRPOLBSRD5A2KDM4E
SCHEMBL12062912 0.84 NR4A2 (0.46) TSHRKDM4C
SCHEMBL8253839 0.83 MRGPRX4 (0.48) TSHRMRGPRX4MEN1KMT2AKDM4E
SCHEMBL7918992 0.81 AKR1C3 (0.54) AKR1C3POLBMEN1KMT2AKDM4E
SCHEMBL11687077 0.80 CA1 (0.54) AKR1C3POLBMRGPRX4MEN1KMT2A
SCHEMBL9068428 0.80 FOLH1 (0.56) TSHRAKR1C3GPR52PDPK1KDM4E
SCHEMBL18456911 0.79 PTPRG (0.47) KDM4CEGFRLCKMEN1KMT2A
SCHEMBL28089634 0.78 RXRA (0.49) RXRARXRBPOLBCTDSP1MRGPRX4

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-4041173-A ANTI-ASTHMATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1977-08-09 US disclosed