SCHEMBL18989127

SCHEMBL18989127

O=C(Cl)c1ccc(OCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ SRD5A2 P31213 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ FOLH1 Q04609 1/20 0.43
▸ SRD5A1 P18405 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41

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
SCHEMBL11532625 0.88 SRD5A2 (0.55) LMNASRD5A2ALDH1A1FOLH1SRD5A1
SCHEMBL11532467 0.78 RHEB (0.55) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11531739 0.75 KDM4E (0.45) SRD5A2ALDH1A1SRD5A1MAPTCYP2C19
SCHEMBL11538794 0.75 RXRA (0.49) LMNASRD5A2ALDH1A1FOLH1SRD5A1
SCHEMBL2465344 0.75 LMNA (0.51) LMNASRD5A2FOLH1MAPTSMN1; SMN2
SCHEMBL11607595 0.74 PTGER1 (0.46) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10592075 0.72 SRD5A2 (0.58) LMNASRD5A2ALDH1A1FOLH1SRD5A1
SCHEMBL341109 0.71 SGMS2 (0.62) LMNAALDH1A1FOLH1MEN1KMT2A
SCHEMBL11519443 0.71 FOLH1 (0.57) SRD5A2ALDH1A1FOLH1MEN1KMT2A
SCHEMBL29557477 0.71 HPGD (0.59) LMNAMEN1KMT2AMAPTSMN1; SMN2

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
WO-2017105565-A2 COMPOSITIONS FOR THERAPEUTICS, TARGETED PET IMAGING AND METHODS OF THEIR USE MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2017-06-22 — — WO disclosed
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