SCHEMBL8438448

SCHEMBL8438448

CCCCCCCCCOc1ccc(-c2ccc3cc4c(cc3c2)C(C)(C)CCC4(C)C)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.61
PTPN1 P18031 1/20 0.58
PTPN6 P29350 1/20 0.58
RARA P10276 4/20 0.54
RARB P10826 4/20 0.54
RARG P13631 4/20 0.54
S1PR3 Q99500 1/20 0.50
RXRA P19793 8/20 0.49
HNF4A P41235 1/20 0.48
PPARG P37231 1/20 0.48
NR1H3 Q13133 1/20 0.48

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
SCHEMBL8442921 0.93 RARG (0.55) PTPN11PTPN1PTPN6RARARARB
SCHEMBL8656079 0.84 RARG (0.58) RARARARBRARGRXRAHNF4A
SCHEMBL8688418 0.84 RARA (0.47) PTPN11RARARARBRARGRXRA
SCHEMBL8461877 0.81 RXRA (0.65) PTPN11RARARARBRARGS1PR3
SCHEMBL27245972 0.77 PTPN11 (1.00) PTPN11PTPN1PTPN6RARBS1PR3
SCHEMBL25788077 0.76 PTPN11 (0.67) PTPN11PTPN1PTPN6S1PR3
SCHEMBL9417624 0.76 PTPN11 (0.67) PTPN11PTPN1PTPN6S1PR3
SCHEMBL8693295 0.76 RARG (0.50) RARARARBRARGRXRA
SCHEMBL27288709 0.75 PTPN11 (0.74) PTPN11PTPN1PTPN6RARARARB
SCHEMBL6870756 0.75 PTPN11 (0.52) PTPN11PTPN1PTPN6RARARARB

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
US-6001885-A INHIBITING VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) EXPRESSION IN KERATINOCYTES BY ADMINISTERING AT LEAST ONE RETINOID; USEFUL FOR TREATING DISEASES RELATING TO VEGF OVEREXPRESSION, SUCH AS PSORIASIS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 1999-12-14 US claimed
US-6001885-A INHIBITING VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) EXPRESSION IN KERATINOCYTES BY ADMINISTERING AT LEAST ONE RETINOID; USEFUL FOR TREATING DISEASES RELATING TO VEGF OVEREXPRESSION, SUCH AS PSORIASIS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 1999-12-14 US disclosed