SCHEMBL4664442

SCHEMBL4664442

CCc1cc(CC=O)ccc1CO

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
BACE1 P56817 1/20 0.37
PKM P14618 1/20 0.34
DHFR P00374 1/20 0.34
VDR P11473 4/20 0.33
MAPT P10636 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP6 P55212 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
SHBG P04278 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6184532 0.88 DHFR (0.41) BACE1DHFRMAPTGPR84TRPA1
SCHEMBL22490117 0.84 EGFR (0.46) EGFRBACE1PKMDHFRVDR
SCHEMBL606251 0.84 TRPA1 (0.46) EGFRBACE1PKMDHFRMAPT
SCHEMBL22498582 0.82 EGFR (0.34) EGFRBACE1PKMDHFRVDR
SCHEMBL22498510 0.82 EGFR (0.34) EGFRBACE1PKMDHFRVDR
SCHEMBL7778148 0.79 VDR (0.43) EGFRVDRKDM4EALDH1A1
SCHEMBL19248505 0.79 MAPT (0.37) EGFRVDRMAPTKDM4EALDH1A1
SCHEMBL4706066 0.78 BACE1 (0.59) BACE1MAPTACE2KDM4ETRPA1
SCHEMBL11010604 0.78 CNR1 (0.47) BACE1VDRGPR84
SCHEMBL13586648 0.78 TRPA1 (0.47) BACE1MAPTKDM4ETRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139282-A2 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORMS THEREOF Cipla Limited (IN) 2023-03-01 EP disclosed
EP-3947348-A1 PROCESS FOR MAKING SIPONIMOD AND INTERMEDIATE THEREOF Synthon B.V. (NL) 2022-02-09 EP disclosed
WO-2021240547-A2 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORMS THEREOF CIPLA LIMITED (IN) 2021-12-02 WO disclosed
WO-2020201172-A1 PROCESS FOR MAKING SIPONIMOD AND INTERMEDIATE THEREOF SYNTHON B.V. (NL) 2020-10-08 WO disclosed
WO-2019064184-A1 PROCESS FOR PREPARATION OF SIPONIMOD, ITS SALTS AND SOLID STATE FORMS THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2019-04-04 WO disclosed
EP-1633336-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-10-29 EP disclosed
EP-1633336-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-15 EP disclosed
WO-2004103306-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 WO disclosed