SCHEMBL11729784

SCHEMBL11729784

Cc1cc(C(CCC(=O)O)(CCC(=O)O)P(=O)(O)O)ccc1C(CCC(=O)O)(CCC(=O)O)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.40
▸ ESR2 Q92731 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CHEK1 O14757 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ GRK5 P34947 1/20 0.38
▸ MAP2K2 P36507 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ PRKX P51817 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ LIMK1 P53667 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38

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
SCHEMBL11727886 0.88 PGK1 (0.36) ESR1ESR2PGK1PGK2CYP1A2
SCHEMBL11728400 0.86 PGK1 (0.41) ESR1ESR2ALDH1A1CYP3A4CHEK1
SCHEMBL11733700 0.78 PGK1 (0.35) ESR1ESR2PGK1PGK2HSD17B10
SCHEMBL11724415 0.74 NPSR1 (0.37) ESR1ESR2ALDH1A1CYP3A4CHEK1
SCHEMBL11730393 0.73 PGK1 (0.41) PGK1PGK2CYP1A2CYP2D6
SCHEMBL11723747 0.71 ALDH1A1 (0.33) ESR1ESR2ALDH1A1CYP3A4CYP1A2
SCHEMBL11729751 0.70 KDM4E (0.31) ALDH1A1PGK1PGK2POLBKDM4E
SCHEMBL11757262 0.66 PTPN1 (0.42) ESR1ESR2ARPTPN1
SCHEMBL9512171 0.65 CYP1A2 (0.36) ESR1ESR2PGK1PGK2CYP1A2
SCHEMBL24602943 0.65 ALDH1A1 (0.64) ESR1ESR2ALDH1A1CYP3A4CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4017455-A Polyolefins and polyesters flame-proofed with carboxyalkyl and carbamoylalkyl substituted poly(phosphine oxides) AMERICAN CYANAMID COMPANY (US) 1977-04-12 — — US disclosed
US-4009207-A CARBAMOYLALKYL SUBSTITUTED POLY(PHOSPHINE OXIDE) FLAME-RETARDANTS AMERICAN CYANAMID COMPANY (US) 1977-02-22 — — US disclosed
US-3976685-A Carboxyalkyl and carbamoylalkyl substituted poly(phosphine oxide) flame-retardants AMERICAN CYANAMID COMPANY (US) 1976-08-24 — — US disclosed
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