SCHEMBL8948602

SCHEMBL8948602

O=C(O)c1ccc2cc(-c3c(C(=O)O)cccc3C(=O)O)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.57
PTPN11 Q06124 1/20 0.52
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
FABP5 Q01469 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
SOS1 Q07889 1/20 0.48
HIF1A Q16665 1/20 0.48
RARB P10826 4/20 0.48
RARG P13631 4/20 0.48
RARA P10276 2/20 0.47
ACMSD Q8TDX5 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PLA2G2D Q9UNK4 1/20 0.45

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
SCHEMBL9489942 0.89 FABP3 (0.48) PTPN1PTPN11FABP3FABP4FABP5
SCHEMBL9009356 0.86 ACMSD (0.62) FABP3FABP4FABP5CYP1A2CYP2D6
Phthalic Acid SCHEMBL28035344 0.81 PTPN1 (0.63) PTPN1PTPN11TSHRKDM4EMEN1
SCHEMBL13900230 0.81 RARB (0.64) PTPN1TSHRRARBRARGRARA
SCHEMBL9811132 0.80 PTPN1 (0.73) PTPN1PTPN11TSHRKDM4EMEN1
SCHEMBL8948814 0.80 CYP1A2 (0.49) PTPN1PTPN11CYP1A2CYP2D6CYP2C9
SCHEMBL29049592 0.79 RARB (0.62) RARBRARGRARAKDM4EMEN1
SCHEMBL30526912 0.79 RARB (0.62) RARBRARGRARAKDM4EMEN1
SCHEMBL13828205 0.79 KDM4E (0.58) CYP1A2TSHRKDM4EATMALDH1A1
Benzene SCHEMBL27872998 0.79 KDM4E (0.65) PTPN1PTPN11TSHRKDM4EMEN1

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
US-5525699-A Copolymers having a controlled sequence structure HOECHST CELANESE CORP. (US) 1996-06-11 US disclosed