SCHEMBL19217871

SCHEMBL19217871

CCC(C)(C)Oc1ccc(C(C)(C)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
RXRA P19793 4/20 0.49
RXRB P28702 3/20 0.49
NR4A2 P43354 1/20 0.49
SRD5A2 P31213 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
RAB9A P51151 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PLA2G4B P0C869 3/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41

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
SCHEMBL982170 0.92 CA1 (0.52) KMT2AMEN1CYP1A2RXRARXRB
SCHEMBL19217953 0.84 CA12 (0.40) KMT2AMEN1CYP1A2POLBCA1
SCHEMBL14627800 0.81 MAPT (0.62) KMT2AMEN1CYP1A2NPC1POLB
SCHEMBL14533677 0.81 LMNA (0.44) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL13801167 0.80 ELANE (0.53) ALDH1A1
SCHEMBL24973109 0.80 MEN1 (0.39) KMT2AMEN1CYP1A2NPC1POLB
SCHEMBL14473046 0.80 CA1 (0.53) KMT2ARXRARXRBNR4A2SRD5A2
SCHEMBL24108828 0.80 ELANE (0.52) KMT2AMEN1CYP1A2CYP2C9RAB9A
SCHEMBL1634704 0.80 PARP15 (0.58) KMT2ARXRARXRBNR4A2SRD5A2
SCHEMBL71433 0.79 SRD5A2 (0.65) KMT2AMEN1CYP1A2RXRARXRB

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
EP-3052547-B1 POLYDIORGANOSILOXANE-POLYCARBONATE BLOCK COPOLYMERS SABIC GLOBAL TECHNOLOGIES BV (NL) 2017-08-09 EP disclosed