SCHEMBL9812265

SCHEMBL9812265

CC[C@H](C)CCCOc1ccc(C)c(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 2/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL9812259 0.78 POLB (0.44) TDP1POLBRECQLESR2
SCHEMBL9812267 0.74 MEN1 (0.42) MEN1KMT2ATDP1TSHRSMN1; SMN2
SCHEMBL4535304 0.73 PDIA6 (0.62) PDIA6MEN1KMT2APPARGPPARA
SCHEMBL4532951 0.71 PDIA6 (0.63) PDIA6MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9146689 0.71 NPC1 (0.44) MEN1KMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL20326392 0.71 CA12 (0.47) MEN1KMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL9146695 0.71 NPC1 (0.44) MEN1KMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL6939838 0.70 LTA4H (0.58) MEN1KMT2ATDP1ESR2
SCHEMBL9509683 0.70 LTA4H (0.58) MEN1KMT2ATDP1ESR2
SCHEMBL8300776 0.70 POLB (0.49) ALDH1A1L3MBTL1TSHRSMN1; SMN2LMNA

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
EP-0225728-B1 LIQUID CRYSTALLINE CARBONIC ACID ESTER AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME Chisso Corporation (JP) 1991-07-03 EP disclosed
US-4759869-A Carbonic acid ester containing assymetrical carbon atom and benzene rings CHISSO CORPORATION (JP) 1988-07-26 US disclosed
EP-0225728-A2 Liquid crystalline carbonic acid ester and liquid crystal composition containing same Chisso Corporation (JP) 1987-06-16 EP disclosed