SCHEMBL7438155

SCHEMBL7438155

CCC(Cc1ccc(F)cc1)c1cc(O)c(C(c2ccc(C)s2)C2CC2)c(=O)o1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7438299 0.93 ESR1 (0.35) ALDH1A1HPGDKMT2A
SCHEMBL7448280 0.93 ALDH1A1 (0.31) ALDH1A1HPGDKMT2A
SCHEMBL7438677 0.92 ALDH1A1 (0.31) ALDH1A1HPGDKMT2A
SCHEMBL7443359 0.91
SCHEMBL7449766 0.91 ALDH1A1 (0.33) ALDH1A1HPGDKMT2A
SCHEMBL7444161 0.91 HSD17B2 (0.32) ALDH1A1HPGDKMT2A
SCHEMBL7439799 0.90 ADAMTS4 (0.31)
SCHEMBL7444893 0.89 MAPT (0.37) KMT2A
SCHEMBL7436844 0.86 ALDH1A1 (0.32) ALDH1A1HPGDKMT2A
SCHEMBL7449838 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP claimed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO claimed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP disclosed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO disclosed