SCHEMBL9745977

SCHEMBL9745977

O=C(O)c1ccc(OC(F)C(F)(F)C(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.53
▸ TSHR P16473 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ SRD5A2 P31213 4/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ PARP15 Q460N3 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ NR4A2 P43354 2/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL9578560 0.86 TSHR (0.60) KMT2ATSHRALDH1A1HSD17B10SRD5A2
SCHEMBL9578567 0.83 KMT2A (0.53) KMT2ATSHRALDH1A1HSD17B10SRD5A2
SCHEMBL9143141 0.81 TSHR (0.49) KMT2ATSHRALDH1A1HSD17B10SRD5A2
SCHEMBL9143128 0.80 TSHR (0.50) KMT2ATSHRALDH1A1HSD17B10SRD5A2
SCHEMBL9747409 0.78 ESR2 (0.39) KMT2AALDH1A1
SCHEMBL9147212 0.78 TSHR (0.48) KMT2ATSHRALDH1A1HSD17B10SRD5A2
SCHEMBL9141752 0.78 TSHR (0.48) KMT2ATSHRALDH1A1HSD17B10SRD5A2
SCHEMBL1018588 0.77 KMT2A (0.64) KMT2ATSHRALDH1A1HSD17B10SRD5A2
SCHEMBL850939 0.77 ALDH1A1 (0.77) KMT2ATSHRALDH1A1HSD17B10SRD5A2
Hydrochloric Acid SCHEMBL9015381 0.76 KMT2A (0.62) KMT2ATSHRALDH1A1HSD17B10SRD5A2

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-5082587-A ACHIRAL FLUORINE-CONTAINING LIQUID CRYSTALS 3M INNOVATIVE PROPERTIES COMPANY 1992-01-21 — — US disclosed
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