SCHEMBL4948306

SCHEMBL4948306

CCOc1ccc(C(=O)O)cc1I

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
POLB P06746 2/20 0.56
CASP6 P55212 1/20 0.56
CREBBP Q92793 4/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
USP2 O75604 1/20 0.50
HSD17B10 Q99714 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49

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
SCHEMBL566129 0.87 THRA (0.56) TSHRPOLBCASP6CREBBPTHRA
SCHEMBL29010144 0.86 CREBBP (0.66) TSHRCREBBPNPC1RAB9ASMN1; SMN2
SCHEMBL3997365 0.86 TSHR (0.66) TSHRPOLBCASP6CREBBPNPC1
SCHEMBL25788109 0.84 THRA (0.68) TSHRTHRATHRB
SCHEMBL25788111 0.84 THRA (0.68) TSHRTHRATHRB
SCHEMBL25788106 0.84 THRA (0.68) TSHRTHRATHRB
SCHEMBL25788104 0.84 THRA (0.68) TSHRTHRATHRB
SCHEMBL29882038 0.84 TSHR (0.83) TSHRPOLBCASP6CREBBPNPC1
SCHEMBL177424 0.84 TSHR (0.83) TSHRPOLBCASP6CREBBPNPC1
SCHEMBL3410155 0.83 MGLL (0.56) TSHRCREBBPNPC1RAB9ASMN1; SMN2

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
WO-2023150197-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed