SCHEMBL9838331

SCHEMBL9838331

Oc1ccccc1C1(c2ccccc2O)CCCCC(c2ccccc2O)(c2ccccc2O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CA12 O43570 1/20 0.41
GMNN O75496 1/20 0.41
EGFR P00533 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
FYN P06241 1/20 0.41
POLB P06746 1/20 0.41
CA3 P07451 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
MMP9 P14780 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
CA4 P22748 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
SCHEMBL444739 0.98 ESR1 (0.44) ESR1ESR2ALDH1A1KDM4ENPC1
SCHEMBL29415365 0.98 ESR1 (0.44) ESR1ESR2ALDH1A1KDM4ENPC1
SCHEMBL2640042 0.95 ESR1 (0.46) ESR1ESR2ALDH1A1KDM4ENPC1
SCHEMBL31490381 0.95 ESR1 (0.46) ESR1ESR2ALDH1A1KDM4ENPC1
SCHEMBL379394 0.95 ESR1 (0.46) ESR1ESR2ALDH1A1KDM4ENPC1
SCHEMBL10513090 0.93 ALDH1A1 (0.43) ESR1ESR2ALDH1A1KDM4ENPC1
SCHEMBL10514967 0.93 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1CA12GMNN
SCHEMBL9327102 0.93 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1CA12GMNN
SCHEMBL10515528 0.83 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1CA12GMNN
SCHEMBL4552622 0.83 ESR1 (0.50) ESR1ESR2ALDH1A1L3MBTL1AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344165-B1 THERMOSET POLYMERS OF STYRENE TERMINATED TETRAKIS PHENOLS AlliedSignal Inc. (US) 1991-09-25 EP disclosed
EP-0344165-A1 THERMOSET POLYMERS OF STYRENE TERMINATED TETRAKIS PHENOLS. ALLIED CORP (US) 1989-12-06 EP disclosed
US-4786700-A PREPARED FROM STYRENE TERMINATED TETRAKISPHENOLS, CIRCUIT BOARDS ALLIED-SIGNAL, INC. (US) 1988-11-22 US disclosed
WO-1988005059-A1 THERMOSET POLYMERS OF STYRENE TERMINATED TETRAKIS PHENOLS ALLIED CORPORATION (US) 1988-07-14 WO disclosed
US-4728708-A Thermoset polymers of styrene terminated tetrakis phenols ALLIED CORPORATION (US) 1988-03-01 US disclosed