SCHEMBL22003016

SCHEMBL22003016

CC1CC(C)(C)CC(c2ccc(OC(=O)Oc3ccccc3)cc2)(c2ccc(OC(=O)Oc3ccc(C4(c5ccc(OC(=O)Oc6ccccc6)cc5)CC(C)CC(C)(C)C4)cc3)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.36
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 1/20 0.36
CCR2 P41597 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALOX5AP P20292 1/20 0.34
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL16395145 1.00 ESR1 (0.57) ESR1ESR2GAALMNANR1I2
SCHEMBL23969898 0.95 ESR1 (0.52) ESR1ESR2GAACYP2D6TSHR
SCHEMBL22003017 0.95 ESR1 (0.67) ESR1ESR2GAALMNANR1I2
SCHEMBL22003013 0.95 ESR1 (0.67) ESR1ESR2GAALMNANR1I2
SCHEMBL12590933 0.93 ESR1 (0.50) ESR1ESR2GAALMNANR1I2
SCHEMBL22003015 0.90 ESR1 (0.74) ESR1ESR2GAALMNACYP3A4
SCHEMBL16394592 0.88 ESR1 (0.58) ESR1ESR2GAALMNANR1I2
SCHEMBL16395131 0.86 ESR1 (0.56) ESR1ESR2GAAALDH1A1KMT2A
SCHEMBL19766172 0.85 ESR1 (0.61) ESR1ESR2GAALMNACYP3A4
SCHEMBL28373556 0.84 ESR1 (0.55) ESR1ESR2GAALMNANR1I2

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
EP-3388468-B1 AROMATIC POLYCARBONATE OLIGOMER SOLID HONSHU CHEMICAL IND (JP) 2021-11-03 EP disclosed
US-10655010-B2 Aromatic polycarbonate oligomer solid HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2020-05-19 US disclosed